Dichloromethane → 3-chloro-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(2-dimethylaminoethyl)benzamide

HRID 213466Notes

Reaction equation

HRID 213466 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1.[Cl:50][CH2:51][Cl:52].[Cs+:42].[Cs+:43].[NH2:22][c:23]1[c:24]([Cl:37])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[cH:35][cH:36]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:2]1([NH:22][c:23]2[c:24]([Cl:37])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[cH:35][cH:36]2)[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:11][C:8]1([C:7](=[O:20])[N:6]2[CH3:21])[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 579699392-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-oneHCID 597636804-amino-3-chloro-N-(2-dimethylaminoethyl)benzamide

Product 1

HCID 686830583-chloro-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(2-dimethylaminoethyl)benzamide

Sources & evidence

ORD record
ord-7fdea8cc17384cbb939c8fbb7b9e551c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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