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3-Pyridinemethanamine → 10-[(4-Chloro-2-methylphenoxy)acetyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

HRID 1553868
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HRID 1553868 반응식
[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[c:23]([CH3:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:30])[CH2:9]2)([Cl:31])[Cl:32].[Cl:41][c:42]1[cH:43][cH:44][c:45]([O:46][CH2:47][C:48]([N:49]2[c:50]3[cH:51][cH:52][cH:53][cH:54][c:55]3[CH2:56][n:57]3[c:58]([C:59]([NH:60][CH2:61][c:62]4[cH:63][n:64][cH:65][cH:66][cH:67]4)=[O:68])[cH:69][cH:70][c:71]3[CH2:72]2)=[O:73])[cH:74][cH:75]1.[NH2:33][CH2:34][c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1>>[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[c:23]([CH3:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:30])[CH2:9]2)[NH:33][CH2:34][c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1
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반응물 3

HCID 310183-PyridinemethanamineHCID 160392952,2,2-Trichloro-1-{10-[(4-chloro-2-methylphenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanoneHCID 6869039110-[(4-Chlorophenoxy)acetyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

생성물 1

HCID 6868754610-[(4-Chloro-2-methylphenoxy)acetyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록
ord-b8ba90dd214c4dbea094a87cc8348edf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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