Water → HCID 86641100, compound

HRID 1151385Notes

Reaction equation

HRID 1151385 reaction equation
[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N-:40][S:41](=[O:42])(=[O:43])[n:44]1[cH:45][cH:46][c:47](=[N+:48]([CH3:49])[CH3:50])[cH:51][cH:52]1.[Cl:54][CH2:55][Cl:56].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[s:23][cH:24][c:25]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1.[OH2:53]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[s:23][cH:24][c:25]([CH:27]3[CH2:28][CH2:29][N:30]([S:41]([NH:40][C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])(=[O:42])=[O:43])[CH2:31][CH2:32]3)[n:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 86641101HCID 86641101, compoundHCID 178482962HCID 178482962, compound

Product 1

HCID 86641100HCID 86641100, compound

Sources & evidence

ORD record
ord-212c8598e6644cbbb3be1ea90383ea2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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