Hydrochloric Acid → Cyclopropanecarboxylic Acid 2-chloro-4-(6-chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide

HRID 116596Notes

Reaction equation

HRID 116596 reaction equation
[CH:1]1([C:4](=[O:5])[Cl:6])[CH2:2][CH2:3]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[ClH:7].[NH2:8][CH2:9][c:10]1[c:11]([Cl:34])[cH:12][c:13]([C:16](=[O:17])[N:18]2[c:19]3[c:20]([cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[NH:21][c:22]3[n:23]([CH3:28])[n:24][cH:25][c:26]3[CH2:27]2)[cH:14][cH:15]1>>[CH:1]1([C:4](=[O:5])[NH:8][CH2:9][c:10]2[c:11]([Cl:34])[cH:12][c:13]([C:16](=[O:17])[N:18]3[c:19]4[c:20]([cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[NH:21][c:22]4[n:23]([CH3:28])[n:24][cH:25][c:26]4[CH2:27]3)[cH:14][cH:15]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 77637Cyclopropanecarbonyl chlorideHCID 81531DiisopropylethylamineHCID 136128379[4-(Aminomethyl)-3-chlorophenyl]-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 136128436Cyclopropanecarboxylic Acid 2-chloro-4-(6-chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide

Sources & evidence

ORD record
ord-da8ddce6ef424b04954492e91d91b9e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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