Toluene → HCID 178522935, 화합물

반응식

[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][NH2:22])[cH:23][cH:24]1.[OH:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8]([O:10][CH2:9][CH3:11])=[O:12])[s:13][cH:14][cH:15]2>>[OH:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8](=[O:10])[NH:22][CH2:21][c:20]1[cH:19][cH:18][c:17]([Cl:16])[cH:24][cH:23]1)[s:13][cH:14][cH:15]2

참가 물질

반응물 3

HCID 1140Toluene

HCID 660364-Chlorobenzylamine

HCID 178469713HCID 178469713, 화합물

생성물 1

HCID 178522935HCID 178522935, 화합물

출처 및 근거

ORD 기록: ord-ef303615b74c4f74824e2c16805858da
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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