Water → HCID 20150154, 화합물

반응식

[CH:20](=[O:21])[N:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[c:8]([S:12][CH3:13])[n:9][cH:10][n:11]2.[OH2:28]>>[c:2]1([N:25]2[CH2:24][CH2:23][N:22]([CH:20]=[O:21])[CH2:27][CH2:26]2)[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[c:8]([S:12][CH3:13])[n:9][cH:10][n:11]2

참가 물질

반응물 3

HCID 962Water

HCID 821911-Piperazinecarboxaldehyde

HCID 20150148HCID 20150148, 화합물

생성물 1

HCID 20150154HCID 20150154, 화합물

출처 및 근거

ORD 기록: ord-f460a792c54b46709f6fec7aef492d7d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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