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Chloroform → tert-butyl {1-[4-(2-chloro-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

HRID 171810
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HRID 171810 반응식
[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:37][N:38]1[C:39](=[O:40])[CH2:41][CH2:42][C:43]1=[O:44].[n:1]1[cH:2][c:3](-[c:19]2[cH:20][cH:21][c:22]([C:25]3([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27][CH2:28]3)[cH:23][cH:24]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1>>[n:1]1[c:2]([Cl:37])[c:3](-[c:19]2[cH:20][cH:21][c:22]([C:25]3([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27][CH2:28]3)[cH:23][cH:24]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1
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반응물 3

HCID 6212ChloroformHCID 31398ChlorosuccinimideHCID 69087639tert-butyl {1-[4-(9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

생성물 1

HCID 136331866tert-butyl {1-[4-(2-chloro-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

출처 및 근거

ORD 기록
ord-ad52fec12aff4009a43554697088f1bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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