Hydrochloric Acid → Hydrochloric Acid

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 6344Dichloromethane

HCID 101517634-[6-(8-Cyclopropyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric Acid

HCID 53302608-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록: ord-57227ce0b6ed49518a3c29cdd2792ddb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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