Chloride → HCID 178503506, compound

HRID 2156827Notes

Reaction equation

HRID 2156827 reaction equation
[CH:30]([NH:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl-:10].[Cl:11][c:12]1[c:13](-[c:18]2[n:19][nH:20][c:21]3[n:22][c:23]([S:28][CH3:29])[n:24][c:25]([NH2:27])[c:26]23)[cH:14][cH:15][cH:16][cH:17]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1.[S:37]([Cl:38])([Cl:39])=[O:40]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][n:9]1)[NH:27][c:25]1[n:24][c:23]([S:28][CH3:29])[n:22][c:21]2[nH:20][n:19][c:18](-[c:13]3[c:12]([Cl:11])[cH:17][cH:16][cH:15][cH:14]3)[c:26]21

Participants

7

Sources & evidence

ORD record
ord-2312b7e5955e4969bdc3a0094fc0178d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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