Water → HCID 69069089, compound

HRID 1120182Notes

Reaction equation

HRID 1120182 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH3:32])[CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([NH:21][C:22]([c:23]3[c:24]([Cl:30])[cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:31])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[NH:8]1[CH:9]([CH3:32])[CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([NH:21][C:22]([c:23]3[c:24]([Cl:30])[cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:31])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 69070654HCID 69070654, compound

Product 1

HCID 69069089HCID 69069089, compound

Sources & evidence

ORD record
ord-5f788b5ccb9e43c7b2678b4a9bd79bd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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