Water → HCID 178473221, compound

HRID 171170Notes

Reaction equation

[C-:137]#[N:138].[C-:140]#[N:141].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:52][CH3:53])[CH2:8][CH:9]([NH:24][c:25]2[n:26][cH:27][c:28]([N:46]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)[c:29]([CH2:31][c:32]3[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[n:30]2)[c:10]2[n:11][c:12]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:13][cH:14][c:15]21.[CH3:142][CH2:143][O:144][C:145](=[O:146])[CH3:147].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[OH2:59].[Zn+2:139].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:52][CH3:53])[CH2:8][CH:9]([NH:24][c:25]2[n:26][cH:27][c:28]([N:46]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)[c:29]([CH2:31][c:32]3[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[n:30]2)[c:10]2[n:11][c:12]([C:54]#[N:55])[cH:13][cH:14][c:15]21

Participants

Reactant 7

HCID 962Water

HCID 5975Cyanide2×

HCID 6228Dimethylformamide

HCID 8857Ethyl Acetate

HCID 32051Zinc(2+)

HCID 178420554HCID 178420554, compound

HCID 178473295HCID 178473295, compound

Product 1

HCID 178473221HCID 178473221, compound

Sources & evidence

ORD record: ord-b1100027d3d24e3dbc02ef6a2310804d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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