Water → HCID 67145453, compound

HRID 172500Notes

Reaction equation

HRID 172500 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][C:29]([Cl:30])=[O:31].[Cl:32][CH2:33][Cl:34].[N:1]1([CH:7]2[CH2:8][CH:9]([c:11]3[s:12][c:13]4[c:14]([n:15]3)[cH:16][cH:17][c:18]([NH2:20])[cH:19]4)[CH2:10]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:35]>>[N:1]1([CH:7]2[CH2:8][CH:9]([c:11]3[s:12][c:13]4[c:14]([n:15]3)[cH:16][cH:17][c:18]([NH:20][C:29]([CH3:28])=[O:31])[cH:19]4)[CH2:10]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Sources & evidence

ORD record
ord-2eb147ecabb947be801e858b5b1b7565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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