Water → HCID 23154178, compound

HRID 2138212Notes

Reaction equation

HRID 2138212 reaction equation
[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[n:28]2[c:29]([Cl:43])[n:30][c:31]3[c:32]2[cH:33][cH:34][c:35](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:36]3)[cH:23][cH:24]1.[CH3:1][C:2]#[N:3].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[O:4]=[S:5]1(=[O:16])[N:6]([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[CH2:7][CH2:8][CH2:9]1.[OH2:59]>>[O:4]=[S:5]1(=[O:16])[N:6]([CH:10]2[CH2:11][CH2:12][N:13]([c:29]3[n:28]([S:25]([c:22]4[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]4)(=[O:26])=[O:27])[c:32]4[c:31]([n:30]3)[cH:36][c:35](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:34][cH:33]4)[CH2:14][CH2:15]2)[CH2:7][CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 23154167HCID 23154167, compoundHCID 53256087688020-17-9

Product 1

HCID 23154178HCID 23154178, compound

Sources & evidence

ORD record
ord-c5afd736c30e459c92719e618859c384
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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