Water → HCID 178453540, compound

HRID 138620Notes

Reaction equation

HRID 138620 reaction equation
[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[Cl:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[NH2:1][c:2]1[c:3]([NH:10][C:11]([CH:12]([CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[OH:23])=[O:24])[cH:4][n:5][n:6]1[CH2:7][CH2:8][OH:9].[OH2:52]>>[NH:1]([c:2]1[c:3]([NH:10][C:11]([CH:12]([CH2:13][CH2:14][NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[OH:23])=[O:24])[cH:4][n:5][n:6]1[CH2:7][CH2:8][OH:9])[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1

Participants

6

Sources & evidence

ORD record
ord-ac6a7a5c02334adaaa89f2a0aaf5cd52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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