Hydrochloric Acid → Hydrochloric Acid

반응식

[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[ClH:47].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][n:28]3[c:29](=[O:40])[cH:30][cH:31][c:32]4[c:33]([NH:38][CH3:39])[cH:34][cH:35][cH:36][c:37]34)[CH2:24][CH2:25]1)[cH:10]2.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[ClH:47].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][NH:12][CH:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][n:28]3[c:29](=[O:40])[cH:30][cH:31][c:32]4[c:33]([NH:38][CH3:39])[cH:34][cH:35][cH:36][c:37]34)[CH2:24][CH2:25]1)[cH:10]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane2회

HCID 59398190HCID 59398190, 화합물

생성물 2

HCID 313Hydrochloric Acid

HCID 59398394HCID 59398394, 화합물

출처 및 근거

ORD 기록: ord-6a4105dd475d45579209c83f9002be83
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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