Water → HCID 19919994, compound

HRID 321132Notes

Reaction equation

HRID 321132 reaction equation
[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:1][c:2]1[c:3]([S:12][CH2:13][c:14]2[c:15]([NH2:16])[cH:17][cH:18][cH:19][cH:20]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cl:27][C:28](=[O:29])[O:30][CH3:31].[OH2:32].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[Cl:1][c:2]1[c:3]([S:12][CH2:13][c:14]2[c:15]([NH:16][C:28](=[O:29])[O:30][CH3:31])[cH:17][cH:18][cH:19][cH:20]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 1140TolueneHCID 6586Methyl chloroformateHCID 19920000HCID 19920000, compound

Product 1

HCID 19919994HCID 19919994, compound

Sources & evidence

ORD record
ord-401c529a7fae466daf3ea26760a56993
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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