Water → HCID 67147518, compound

HRID 2345334Notes

Reaction equation

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

Participants

Reactant 4

HCID 962Water

HCID 6344Dichloromethane

HCID 92298p-(Trifluoromethoxy)phenyl isocyanate

HCID 67147711(2,4-dimethoxybenzyl) [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

Product 1

HCID 67147518HCID 67147518, compound

Sources & evidence

ORD record: ord-886469429a89493a9d5e1115e4b4b155
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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