Acetic Acid → Chloride

HRID 205613노트

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HRID 205613 반응식
[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:37][CH2:38][OH:39].[CH3:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl-:1].[NH2:2][c:3]1[cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[c:21]4[cH:22][cH:23][c:24]([NH:25][c:26]5[cH:27][cH:28][n+:29]([CH3:32])[cH:30][cH:31]5)[cH:33][cH:34]4)[cH:35][cH:36]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1.[OH2:40]>>[Cl-:1].[N+:2]([c:3]1[cH:4][c:5]2[c:6]([NH:13][c:14]3[cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[c:21]4[cH:22][cH:23][c:24]([NH:25][c:26]5[cH:27][cH:28][n+:29]([CH3:32])[cH:30][cH:31]5)[cH:33][cH:34]4)[cH:35][cH:36]3)[cH:7][cH:8][n:9][c:10]2[cH:11][cH:12]1)(=[O:40])[O-:46]

참가 물질

9

출처 및 근거

ORD 기록
ord-44e289282a7744aa9ab6515d36ed8967
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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