Water → HCID 68951849, compound

HRID 1153295Notes

Reaction equation

HRID 1153295 reaction equation
[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18][CH:19]([CH:22]2[N:23]([c:27]3[n:28][c:29]4[cH:30][c:31]([F:40])[c:32]([F:39])[cH:33][c:34]4[cH:35][c:36]3[CH2:37][OH:38])[CH2:24][CH2:25][CH2:26]2)[CH2:20][CH2:21]1.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[OH2:50]>>[Cl:3][CH2:37][c:36]1[c:27]([N:23]2[CH:22]([CH:19]3[CH2:18][CH2:17][CH:16]([CH2:15][CH2:14][O:13][CH2:6][c:7]4[cH:8][cH:9][cH:10][cH:11][cH:12]4)[CH2:21][CH2:20]3)[CH2:26][CH2:25][CH2:24]2)[n:28][c:29]2[cH:30][c:31]([F:40])[c:32]([F:39])[cH:33][c:34]2[cH:35]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 68953361HCID 68953361, compound

Product 1

HCID 68951849HCID 68951849, compound

Sources & evidence

ORD record
ord-e96c9ca019fc4853bce8bf9b9af9656c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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