Water → HCID 178440275, 화합물

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[CH2:35]1[CH2:36][NH:37][CH2:38][CH2:39][NH:40]1.[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH:32]([CH3:33])[CH3:34])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24]([NH:27][C:28]([CH2:29][Cl:30])=[O:31])[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1.[OH2:41]>>[Cl:1][c:2]1[c:3](-[n:10]2[nH:11][c:12]([CH:32]([CH3:33])[CH3:34])[c:13]3[c:18](=[O:19])[n:17][c:16]([CH2:20][c:21]4[cH:22][cH:23][c:24]([NH:27][C:28]([CH2:29][N:37]5[CH2:36][CH2:35][NH:40][CH2:39][CH2:38]5)=[O:31])[cH:25][cH:26]4)[n:15][c:14]2-3)[c:4]([Cl:9])[cH:5][c:6]([Cl:8])[cH:7]1

참가 물질

반응물 3

HCID 962Water

HCID 4837Piperazine

HCID 178440273HCID 178440273, 화합물

생성물 1

HCID 178440275HCID 178440275, 화합물

출처 및 근거

ORD 기록: ord-4fe53e1447d043b1a0bbf8a72af6f0c1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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