Hydrochloric Acid → Hydrochloric Acid

HRID 1228349노트

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[c:10]([F:33])[cH:11][c:12]([C:15](=[O:16])[N:17]2[c:18]3[c:19]([cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[NH:20][c:21]3[n:22]([CH3:27])[n:23][cH:24][c:25]3[CH2:26]2)[cH:13][cH:14]1)([CH3:5])([CH3:6])[CH3:34].[ClH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[ClH:35].[NH2:7][CH2:8][c:9]1[c:10]([F:33])[cH:11][c:12]([C:15](=[O:16])[N:17]2[c:18]3[c:19]([cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[NH:20][c:21]3[n:22]([CH3:27])[n:23][cH:24][c:25]3[CH2:26]2)[cH:13][cH:14]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 136128399[4-(3,6-Dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzyl]-carbamic Acid Tert-butyl Ester

생성물 2

HCID 313Hydrochloric Acid

HCID 135736010[4-(Aminomethyl)-3-fluorophenyl]-(1,8-dimethyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

출처 및 근거

ORD 기록: ord-712ef4d6b20747d9890c62b012f381e4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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