Water → HCID 20097471, compound

HRID 1569630Notes

Reaction equation

HRID 1569630 reaction equation
[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[Cl:55].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[OH2:63].[c:1]1([C:7]2=[N:8][CH:9]([N:25]3[C:26](=[O:35])[c:27]4[c:28]([cH:31][cH:32][cH:33][cH:34]4)[C:29]3=[O:30])[C:10](=[O:24])[N:11]([CH2:18][c:19]3[n:20][n:21][n:22][nH:23]3)[c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[N:8][CH:9]([N:25]3[C:26](=[O:35])[c:27]4[c:28]([cH:31][cH:32][cH:33][cH:34]4)[C:29]3=[O:30])[C:10](=[O:24])[N:11]([CH2:18][c:19]3[n:20]([C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[n:21][n:22][n:23]3)[c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Sources & evidence

ORD record
ord-6923d47607a54142a716dcab795eb787
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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