Hydrochloric Acid → 2-(5-{[Bis-(3-morpholin-4-yl-propyl)-amino]-methyl}-2-nitro-phenylamino)-4-(3-chloro-phenyl)-thiazole-5-carboxylic acid amide

HRID 301958Notes

Reaction equation

HRID 301958 reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:25](=[O:26])[O-:27])[cH:19][cH:20][c:21]([CH:23]=[O:24])[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1.[Cl:64][CH2:65][Cl:66].[ClH:28].[ClH:29].[ClH:30].[Na+:63].[O:31]1[CH2:32][CH2:33][N:34]([CH2:37][CH2:38][CH2:39][NH:40][CH2:41][CH2:42][CH2:43][N:44]2[CH2:45][CH2:46][O:47][CH2:48][CH2:49]2)[CH2:35][CH2:36]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([NH:16][c:17]3[c:18]([N+:25](=[O:26])[O-:27])[cH:19][cH:20][c:21]([CH2:23][N:40]([CH2:39][CH2:38][CH2:37][N:34]4[CH2:33][CH2:32][O:31][CH2:36][CH2:35]4)[CH2:41][CH2:42][CH2:43][N:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[cH:22]3)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid3×HCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 198694753-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)propan-1-amineHCID 866428094-(3-Chloro-phenyl)-2-(5-formyl-2-nitro-phenylamino)-thiazole-5-carboxylic acid amide

Product 1

HCID 866428572-(5-{[Bis-(3-morpholin-4-yl-propyl)-amino]-methyl}-2-nitro-phenylamino)-4-(3-chloro-phenyl)-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-c2c0851fdbb845d499c63be3284fd5bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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