Acetic Acid → HCID 67416092, 화합물

HRID 166445노트

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HRID 166445 반응식
[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[c:3]2[c:4]3[c:5]([c:6]([CH2:12][S:13](=[O:14])(=[O:15])[N:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH3:23])[n:7][c:8]2[cH:9][cH:10][n:11]1)[cH:24][cH:25][n:26][cH:27]3.[Na+:29].[OH-:28].[OH2:34]>>[c:2]1(=[O:28])[c:3]2[c:4]3[c:5]([c:6]([CH2:12][S:13](=[O:14])(=[O:15])[N:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH3:23])[n:7][c:8]2[cH:9][cH:10][nH:11]1)[cH:24][cH:25][n:26][cH:27]3

참가 물질

6

출처 및 근거

ORD 기록
ord-cb5ae00cb68f4603a784a1382cfb6ac5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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