Water → HCID 10127447, compound

HRID 198307Notes

Reaction equation

HRID 198307 reaction equation
[C:42]([CH3:43])([CH3:44])([CH3:45])[NH2:46].[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[n:15][n:16]4[c:17]([S:22][CH3:23])[n:18][cH:19][cH:20][c:21]34)[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:47][CH2:48][Cl:49].[OH2:50].[OH:31][O:32][C:33]([c:34]1[cH:35][c:36]([Cl:37])[cH:38][cH:39][cH:40]1)=[O:41]>>[CH:1]1([NH:6][c:7]2[n:8][cH:9][cH:10][c:11](-[c:13]3[c:14](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[n:15][n:16]4[c:17]([NH:46][C:42]([CH3:43])([CH3:44])[CH3:45])[n:18][cH:19][cH:20][c:21]34)[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 6385Tert-ButylamineHCID 70297m-Chloroperbenzoic acidHCID 10173307HCID 10173307, compound

Product 1

HCID 10127447HCID 10127447, compound

Sources & evidence

ORD record
ord-4401d4be15c0477c96b3b438afd46299
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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