HCID 422797, 화합물 → HCID 58978315, 화합물

반응식

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

참가 물질

반응물 2

HCID 422797HCID 422797, 화합물

HCID 58978433[(4-tert-Butyl-benzenesulfonyl)-(3-dimethylamino-phenyl)-amino]-acetic acid

생성물 1

HCID 58978315HCID 58978315, 화합물

출처 및 근거

ORD 기록: ord-4bec18b7345f4974bfa905a6b3d7a6a2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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