O-Xylene → HCID 178476058, 화합물

HRID 105737

반응식

HRID 105737 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([N:24]=[C:25]=[S:26])[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[NH2:27][c:28]1[s:29][c:30]2[c:31]([n:32]1)[cH:33][cH:34][cH:35][cH:36]2.[c:37]1([CH3:38])[c:39]([CH3:40])[cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:24][C:25](=[S:26])[NH:27][c:28]2[s:29][c:30]3[c:31]([n:32]2)[cH:33][cH:34][cH:35][cH:36]3)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]

참가 물질

4

반응물 3

HCID 7237O-XyleneHCID 8706Benzo(d)thiazol-2-amineHCID 312833(3,4,5-Triacetyloxy-6-isothiocyanatooxan-2-yl)methyl acetate

생성물 1

HCID 178476058HCID 178476058, 화합물

출처 및 근거

ORD 기록
ord-b16180058a2e453cbf1eca30f5e7bd21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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