Dichloromethane → HCID 57849719, compound

HRID 672043Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([NH:27][C:28](=[O:29])[CH:30]4[N:31]([C:35](=[O:36])[O:37][CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:32][CH2:33][CH2:34]4)[s:25][cH:26]3)[cH:20][cH:21]2)=[O:45])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:46]([O:47][C:48]([N:49]1[CH2:50][CH2:51][CH2:52][CH:53]([NH:54][C:55](=[O:56])[c:57]2[cH:58][cH:59][c:60](-[c:61]3[n:62][c:63]([NH:64][C:65]([CH:66]4[CH2:67][CH2:68][CH2:69][N:70]4[C:71]([O:72][CH2:73][c:74]4[cH:75][cH:76][cH:77][cH:78][cH:79]4)=[O:80])=[O:81])[s:82][cH:83]3)[cH:84][cH:85]2)[CH2:86]1)=[O:87])([CH3:88])([CH3:89])[CH3:90].[Cl:91][CH2:92][Cl:93].[F:94][C:95]([F:96])([F:97])[C:98]([OH:99])=[O:100]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][C:15]([c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([NH:27][C:28](=[O:29])[CH:30]4[N:31]([C:35](=[O:36])[O:37][CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:32][CH2:33][CH2:34]4)[s:25][cH:26]3)[cH:20][cH:21]2)=[O:45])[CH2:12][CH2:13]1

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 59140916HCID 59140916, compound

HCID 59140918HCID 59140918, compound

Product 1

HCID 57849719HCID 57849719, compound

Sources & evidence

ORD record: ord-1c5d56df083b4522aca562a759cbbd1a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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