Water → HCID 68953354, compound

HRID 1234718Notes

Reaction equation

HRID 1234718 reaction equation
[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][CH2:14][CH:15]1[CH2:16][CH2:17][CH:18]([CH:21]2[N:22]([c:26]3[n:27][c:28]4[cH:29][c:30]([F:39])[c:31]([F:38])[cH:32][c:33]4[cH:34][c:35]3[CH2:36][OH:37])[CH2:23][CH2:24][CH2:25]2)[CH2:19][CH2:20]1.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[OH2:49]>>[Cl:3][CH2:36][c:35]1[c:26]([N:22]2[CH:21]([CH:18]3[CH2:17][CH2:16][CH:15]([CH2:14][O:13][CH2:6][c:7]4[cH:8][cH:9][cH:10][cH:11][cH:12]4)[CH2:20][CH2:19]3)[CH2:25][CH2:24][CH2:23]2)[n:27][c:28]2[cH:29][c:30]([F:39])[c:31]([F:38])[cH:32][c:33]2[cH:34]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 69012340HCID 69012340, compound

Product 1

HCID 68953354HCID 68953354, compound

Sources & evidence

ORD record
ord-b13b8f4fd9a1457cb8074bcbcfad4008
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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