Water → N7-2-[di(2-hydroxyethyl)amino]ethyl-4-amino-3-(3-methoxy-4-[(1-methyl-1H-2-indolyl)carbonyl]aminophenyl)thieno[3,2-c]pyridine-7-carboxamide

HRID 311448

Reaction equation

HRID 311448 reaction equation
[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32](=[O:33])[OH:34])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[NH2:55][CH2:56][CH2:57][N:58]([CH2:59][CH2:60][OH:61])[CH2:62][CH2:63][OH:64].[OH2:35].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32](=[O:33])[NH:55][CH2:56][CH2:57][N:58]([CH2:59][CH2:60][OH:61])[CH2:62][CH2:63][OH:64])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 98535N,N-Bis(2-hydroxyethyl)ethylenediamineHCID 184508304-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carboxamido)phenyl)thieno[3,2-c]pyridine-7-carboxylic acid

Product 1

HCID 18450842N7-2-[di(2-hydroxyethyl)amino]ethyl-4-amino-3-(3-methoxy-4-[(1-methyl-1H-2-indolyl)carbonyl]aminophenyl)thieno[3,2-c]pyridine-7-carboxamide

Sources & evidence

ORD record
ord-2f88a6e141ab44b18e393d168c769312
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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