2-Oxo-2,3-dihydro-1H-indole-5-sulfonic acid (3-chlorophenyl)amide → 2-Oxo-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-2,3-dihydro-1H-indole-5-sulfonic acid (3-chloro-phenyl)-amide

HRID 698994

반응식

HRID 698994 반응식
[Cl:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[NH:17][C:16](=[O:21])[CH2:15]3)[cH:5][cH:6][cH:7]1.[N:22]1([CH2:27][CH2:28][O:29][c:30]2[cH:31][c:32]3[cH:33][c:34]([CH:39]=[O:40])[nH:35][c:36]3[cH:37][cH:38]2)[CH2:23][CH2:24][CH2:25][CH2:26]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:18]([cH:19][cH:20]2)[NH:17][C:16](=[O:21])[C:15]3=[CH:39][c:34]2[cH:33][c:32]3[cH:31][c:30]([O:29][CH2:28][CH2:27][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26]4)[cH:38][cH:37][c:36]3[nH:35]2)[cH:5][cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 90558432-Oxo-2,3-dihydro-1H-indole-5-sulfonic acid (3-chlorophenyl)amideHCID 220420925-(2-pyrrolidin-1-yl-ethoxy)-1H-indole-2-carbaldehyde

생성물 1

HCID 865851062-Oxo-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-2,3-dihydro-1H-indole-5-sulfonic acid (3-chloro-phenyl)-amide

출처 및 근거

ORD 기록
ord-3e5287108e634777b0e1a345e99d17df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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