Methanol → HCID 178421975, compound

HRID 212063Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[cH:10][c:11]([C:15]2([NH:18][C:19](=[O:20])[C:21]3([NH:24][C:25](=[O:26])[c:27]4[cH:28][n:29][c:30]5[n:31]4[C:32]([CH3:44])([CH2:45][c:46]4[cH:47][cH:48][c:49]([C:52]#[N:53])[cH:50][cH:51]4)[C:33](=[O:43])[N:34]5[c:35]4[cH:36][c:37]([Cl:42])[cH:38][c:39]([Cl:41])[cH:40]4)[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[n:12][cH:13][cH:14]1)([CH3:5])([CH3:6])[CH3:54].[CH3:65][OH:66].[Cl:55][CH2:56][Cl:57].[Cl:67][CH2:68][Cl:69].[F:58][C:59]([F:60])([F:61])[C:62]([OH:63])=[O:64]>>[NH2:7][CH2:8][c:9]1[cH:10][c:11]([C:15]2([NH:18][C:19](=[O:20])[C:21]3([NH:24][C:25](=[O:26])[c:27]4[cH:28][n:29][c:30]5[n:31]4[C:32]([CH3:44])([CH2:45][c:46]4[cH:47][cH:48][c:49]([C:52]#[N:53])[cH:50][cH:51]4)[C:33](=[O:43])[N:34]5[c:35]4[cH:36][c:37]([Cl:42])[cH:38][c:39]([Cl:41])[cH:40]4)[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[n:12][cH:13][cH:14]1

Participants

Reactant 4

HCID 887Methanol

HCID 6344Dichloromethane2×

HCID 6422Trifluoroacetic acid

HCID 67390917HCID 67390917, compound

Product 1

HCID 178421975HCID 178421975, compound

Sources & evidence

ORD record: ord-412fc88cde8f4bceb22d536746ad57e2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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