Benzo-1,3-dioxole-5-methylamine → N-(1,3-Benzodioxol-5-ylmethyl)-10-[(4-chlorophenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HRID 204262Notes

Reaction equation

HRID 204262 reaction equation
[CH2:32]([c:33]1[cH:34][c:35]2[c:39]([cH:40][cH:41]1)[O:38][CH2:37][O:36]2)[NH2:42].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)([Cl:30])[Cl:31]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)[NH:42][CH2:32][c:33]1[cH:34][c:35]2[c:39]([cH:40][cH:41]1)[O:38][CH2:37][O:36]2

Participants

3

Reactant 2

HCID 75799Benzo-1,3-dioxole-5-methylamineHCID 160392192,2,2-trichloro-1-{10-[(4-chlorophenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Product 1

HCID 16039221N-(1,3-Benzodioxol-5-ylmethyl)-10-[(4-chlorophenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

Sources & evidence

ORD record
ord-8c5fdcb59701412989de71db8a9d7266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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