Methanol → HCID 178483445, compound

HRID 1141857Notes

Reaction equation

HRID 1141857 reaction equation
[C:26](#[N:27])[NH:28][C:29]([O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[N:37][CH2:38][CH2:39][S:40][CH2:41][c:42]1[n:43][c:44]([NH:47][C:48](=[NH:49])[NH2:50])[s:45][cH:46]1.[C:53]([O:54][CH2:55][CH3:56])(=[O:57])[CH3:58].[CH3:51][OH:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[CH3:19])[c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH:18][C:29]([NH:28][C:26]#[N:27])=[N:37][CH2:38][CH2:39][S:40][CH2:41][c:42]2[n:43][c:44]([NH:47][C:48](=[NH:49])[NH2:50])[s:45][cH:46]2)[CH3:19])[c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8857Ethyl AcetateHCID 19762487HCID 19762487, compoundHCID 178512334HCID 178512334, compound

Product 1

HCID 178483445HCID 178483445, compound

Sources & evidence

ORD record
ord-89352c42fdd4420db29bae1b2c3ff54e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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