Water → HCID 18440722, compound

HRID 140452Notes

Reaction equation

HRID 140452 reaction equation
[CH3:1][C:2]([Cl:3])=[O:4].[Cl:40][CH2:41][Cl:42].[Cl:5][c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[NH:13][c:14]2[c:15]3[c:19]([cH:20][cH:21][cH:22]2)[C:18](=[O:23])[N:17]([CH2:24][CH2:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[C:16]3=[O:32])[s:10]1.[OH2:39].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[CH3:1][C:2](=[O:4])[N:29]1[CH2:28][CH2:27][CH:26]([CH2:25][CH2:24][N:17]2[C:16](=[O:32])[c:15]3[c:14]([NH:13][C:11]([c:9]4[cH:8][cH:7][c:6]([Cl:5])[s:10]4)=[O:12])[cH:22][cH:21][cH:20][c:19]3[C:18]2=[O:23])[CH2:31][CH2:30]1

Participants

6

Sources & evidence

ORD record
ord-714d45008875473fa58da2a22473569f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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