Water → HCID 44594662, compound

HRID 183178

Reaction equation

HRID 183178 reaction equation
[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[N:31]1([CH2:36][CH2:37][O:38][c:39]2[cH:40][cH:41][c:42]([NH2:43])[cH:44][cH:45]2)[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:46].[c:47]1([CH3:48])[cH:49][cH:50][c:51]([S:52]([OH:53])(=[O:54])=[O:55])[cH:56][cH:57]1.[n:1]1([O:2][c:11]2[n:12][cH:13][c:14]([C:28](=[O:29])[NH2:30])[c:15]([NH:17][c:18]3[c:19]4[cH:20][cH:21][n:22]([CH3:27])[c:23]4[cH:24][cH:25][cH:26]3)[n:16]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[c:11]1([NH:43][c:42]2[cH:41][cH:40][c:39]([O:38][CH2:37][CH2:36][N:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:45][cH:44]2)[n:12][cH:13][c:14]([C:28](=[O:29])[NH2:30])[c:15]([NH:17][c:18]2[c:19]3[cH:20][cH:21][n:22]([CH3:27])[c:23]3[cH:24][cH:25][cH:26]2)[n:16]1

Participants

6

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 13387N-methyl-2-pyrrolidoneHCID 64937494-(2-(Pyrrolidin-1-yl)ethoxy)anilineHCID 574720132-(1H-benzo[d][1,2,3]triazol-1-yloxy)-4-(1-methyl-1H-indol-4-ylamino)pyrimidine-5-carboxamide

Product 1

HCID 44594662HCID 44594662, compound

Sources & evidence

ORD record
ord-29a648e7bbcf42e78dfe5a2838551228
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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