Water → HCID 20815203, compound

HRID 1203732Notes

Reaction equation

HRID 1203732 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[S:7](=[O:16])(=[O:17])[c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11].[CH2:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][CH2:35][CH:36]1[O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[CH:44]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:45]1.[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[OH2:54]>>[CH2:2]([CH2:3][CH2:4][CH2:5][N:6]1[S:7](=[O:16])(=[O:17])[c:8]2[c:9]([cH:12][cH:13][cH:14][cH:15]2)[C:10]1=[O:11])[N:34]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH2:35][CH:36]1[O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[CH:44]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[CH2:45]1

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 107817741,1-Dioxido-2-(4-bromobutyl)-1,2-benzisothiazol-3(2H)-oneHCID 22350904HCID 22350904, compound

Product 1

HCID 20815203HCID 20815203, compound

Sources & evidence

ORD record
ord-a886f620a10349708f04e2b38cb993be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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