Chloride → HCID 9916925, compound

HRID 125232Notes

Reaction equation

HRID 125232 reaction equation
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[Cl-:1].[NH2:12][c:13]1[cH:14][c:15]([CH:27]([CH2:28][NH:29][C:30]([CH2:31][CH2:32][n:33]2[cH:34][n:35][c:36](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[cH:37]2)([CH3:44])[CH3:45])[OH:46])[cH:16][cH:17][c:18]1[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[OH2:53].[c:2]1([S:8](=[O:9])(=[O:10])[OH:11])[cH:3][cH:4][cH:5][cH:6][cH:7]1.[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[c:2]1([S:8](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][c:15]([CH:27]([CH2:28][NH:29][C:30]([CH2:31][CH2:32][n:33]3[cH:34][n:35][c:36](-[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[cH:37]3)([CH3:44])[CH3:45])[OH:46])[cH:16][cH:17][c:18]2[O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 7371Benzenesulfonic AcidHCID 8857Ethyl AcetateHCID 69414693HCID 69414693, compound

Product 1

HCID 9916925HCID 9916925, compound

Sources & evidence

ORD record
ord-b6a6338b22064148a6a6e1109b1e2117
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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