Water → [4-(1-Cyclopropanecarbonyl-1H-pyrazol-3-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

HRID 301241Notes

Reaction equation

HRID 301241 reaction equation
[CH:28]1([C:31](=[O:32])[Cl:33])[CH2:29][CH2:30]1.[OH2:34].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1.[nH:1]1[n:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]3[CH2:15][c:16]4[n:17]([cH:25][cH:26][cH:27]4)[CH2:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[cH:10][cH:11]2)[cH:4][cH:5]1>>[n:1]1([C:31]([CH:28]2[CH2:29][CH2:30]2)=[O:32])[n:2][c:3](-[c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]3[CH2:15][c:16]4[n:17]([cH:25][cH:26][cH:27]4)[CH2:18][c:19]4[c:20]3[cH:21][cH:22][cH:23][cH:24]4)[cH:10][cH:11]2)[cH:4][cH:5]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 77637Cyclopropanecarbonyl chlorideHCID 178519422HCID 178519422, compound

Product 1

HCID 9932009[4-(1-Cyclopropanecarbonyl-1H-pyrazol-3-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone

Sources & evidence

ORD record
ord-40b25e9f7f414044acddc6abc5d7feb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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