Dichloromethane → 1-[4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzyl]-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]-diazepin-2-on

HRID 135650Notes

Reaction equation

HRID 135650 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[C:10](=[O:29])[CH2:11][N:12]([C:20]([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)=[O:28])[CH2:13][c:14]3[c:15]2[cH:16][cH:17][cH:18][cH:19]3)[cH:30][cH:31]1.[CH2:32]1[NH:33][CH2:34][CH:35]=[CH:36]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:44][CH2:45][Cl:46]>>[C:1](=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[C:10](=[O:29])[CH2:11][N:12]([C:20]([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)=[O:28])[CH2:13][c:14]3[c:15]2[cH:16][cH:17][cH:18][cH:19]3)[cH:30][cH:31]1)[N:33]1[CH2:32][CH:36]=[CH:35][CH2:34]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 660593-PyrrolineHCID 226325341-(4-Carboxybenzyl)-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]diazepin-2-on

Product 1

HCID 226324821-[4-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)benzyl]-4-(4-chlorobenzoyl)-1,3,4,5-tetrahydrobenzo[e][1,4]-diazepin-2-on

Sources & evidence

ORD record
ord-4a23b3d0c17f476da07a63026c5f5b6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…