Water → HCID 87331158, compound

HRID 1555896Notes

Reaction equation

HRID 1555896 reaction equation
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[O:6]1[c:7]2[c:8]([cH:12][c:13]([C:16](=[O:17])[NH:18][CH:19]3[CH2:20][CH:21]([c:32]4[n:33][c:34]5[c:35]([n:36]4[CH2:37][CH2:38][OH:39])[cH:40][cH:41][cH:42][cH:43]5)[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:14][cH:15]2)[O:9][CH2:10][CH2:11]1.[OH2:44].[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[CH3:1][S:2](=[O:4])(=[O:5])[O:39][CH2:38][CH2:37][n:36]1[c:32]([CH:21]2[CH2:20][CH:19]([NH:18][C:16]([c:13]3[cH:12][c:8]4[c:7]([cH:15][cH:14]3)[O:6][CH2:11][CH2:10][O:9]4)=[O:17])[CH2:24][CH2:23][N:22]2[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[n:33][c:34]2[c:35]1[cH:40][cH:41][cH:42][cH:43]2

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 31297Methanesulfonyl chlorideHCID 67266259HCID 67266259, compound

Product 1

HCID 87331158HCID 87331158, compound

Sources & evidence

ORD record
ord-dee45253d88b483384b5c45ed5ce7a80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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