1H-1,2,4-Triazole → N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-2-(1H-[1,2,4]-triazol-1-yl)-acetamide

HRID 144847

Reaction equation

HRID 144847 reaction equation
[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[C:41]1=[O:42].[Cl:7][CH2:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]2[CH2:21][c:22]3[n:23]([cH:31][cH:32][cH:33]3)[CH2:24][c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[cH:16][cH:17]1.[Na:1].[nH:2]1[n:3][cH:4][n:5][cH:6]1>>[n:2]1([CH2:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][c:22]4[n:23]([cH:31][cH:32][cH:33]4)[CH2:24][c:25]4[c:26]3[cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:17]2)[n:3][cH:4][n:5][cH:6]1

Participants

5

Reactant 4

HCID 92571H-1,2,4-TriazoleHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 5360545SodiumHCID 218370752-chloro-N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)ylcarbonyl)phenyl]acetamide

Product 1

HCID 21837048N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-2-(1H-[1,2,4]-triazol-1-yl)-acetamide

Sources & evidence

ORD record
ord-fb4367c6a8194eefa7bf4fb24a2b9dbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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