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Water → 3-(1-Benzenesulfonyl-3-iodo-1H-indol-5-yl)-but-2-enoic acid methyl ester

HRID 1152302
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반응식

HRID 1152302 반응식
[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[cH:10][cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:25].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:52][CH2:53][Cl:54].[I:26][N:27]1[C:28](=[O:29])[CH2:30][CH2:31][C:32]1=[O:33].[OH2:34].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10]([I:26])[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:25]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 962WaterHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 120273N-Iodosuccinimide
HCID 69218924
3-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester

생성물 1

HCID 692188963-(1-Benzenesulfonyl-3-iodo-1H-indol-5-yl)-but-2-enoic acid methyl ester

출처 및 근거

ORD 기록
ord-92d88a72c6334241ade92ac70e849d6e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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