Water → HCID 57657996, compound

HRID 1147002Notes

Reaction equation

HRID 1147002 reaction equation
[C:1]([Si:2]([c:3]1[cH:4][cH:5][cH:46][cH:47][cH:48]1)([O:6][CH:7]1[CH2:8][CH2:9][CH:10]([CH:13]2[C:14](=[O:45])[N:15]([CH2:18][c:19]3[c:20]([Cl:44])[cH:21][c:22](-[c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]5[CH2:35][CH2:36][CH:37]([C:40]([F:41])([F:42])[F:43])[CH2:38][CH2:39]5)[cH:30][cH:31]4)[cH:23][c:24]3[Cl:25])[CH2:16][CH2:17]2)[CH2:11][CH2:12]1)[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([CH3:55])([CH3:56])[CH3:57].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[F:64][C:65]([F:66])([F:67])[C:68]([OH:69])=[O:70].[OH2:63]>>[OH:6][CH:7]1[CH2:8][CH2:9][CH:10]([CH:13]2[C:14](=[O:45])[N:15]([CH2:18][c:19]3[c:20]([Cl:44])[cH:21][c:22](-[c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]5[CH2:35][CH2:36][CH:37]([C:40]([F:41])([F:42])[F:43])[CH2:38][CH2:39]5)[cH:30][cH:31]4)[cH:23][c:24]3[Cl:25])[CH2:16][CH2:17]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 67354701HCID 67354701, compound

Product 1

HCID 57657996HCID 57657996, compound

Sources & evidence

ORD record
ord-6ab2d34920364ffeb524e23bb3c6d7d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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