Dichloromethane → 4-[1-carbamoyl-5-nitro-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid methylester

반응식

[CH2:33]([Cl:34])[Cl:35].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:23][CH3:24])[c:7]([CH2:10][c:11]2[cH:12][nH:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:8][cH:9]1)=[O:25].[Cl:26][S:27](=[O:28])(=[O:29])[N:30]=[C:31]=[O:32]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:23][CH3:24])[c:7]([CH2:10][c:11]2[cH:12][n:13]([C:31]([NH2:30])=[O:32])[c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:8][cH:9]1)=[O:25]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 70918Chlorosulfonyl isocyanate

HCID 114732633-(2-Methoxy-4-methoxycarboxybenzyl)-5-nitroindole

생성물 1

HCID 543251484-[1-carbamoyl-5-nitro-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid methylester

출처 및 근거

ORD 기록: ord-f808e8bfe17a47089801a6f83a5e9040
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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